SCHEMBL8091670

SCHEMBL8091670

NCCC[C@H](NC(=O)C1(C(=O)NCc2ccccc2)CCCCC1)OBO

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.38
SLC6A4 P31645 1/20 0.36
ATM Q13315 2/20 0.35
MMP1 P03956 1/20 0.35
TACR2 P21452 4/20 0.35
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
HPGD P15428 2/20 0.35
EPHX1 P07099 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8095188 0.99 MMP8 (0.39) MMP8SLC6A4ATMMMP1TACR2
SCHEMBL8090156 0.97 MMP8 (0.39) MMP8SLC6A4ATMHPGDL3MBTL1
SCHEMBL8091668 0.93 MMP8 (0.39) MMP8SLC6A4ATMMMP1TACR2
SCHEMBL8095182 0.92 MMP8 (0.40) MMP8SLC6A4ATMMMP1TACR2
SCHEMBL8090153 0.90 MMP8 (0.40) MMP8SLC6A4ATMHPGDEPHX1
SCHEMBL8095467 0.89 CYP3A4 (0.38) MMP8MMP1TACR2HPGDEPHX1
SCHEMBL8091588 0.89 MC4R (0.38) MMP1ERCC1ERCC4
SCHEMBL8098091 0.88 MMP8 (0.43) MMP8HPGDL3MBTL1
SCHEMBL8091531 0.88 MMP8 (0.35) MMP8ATMMMP1ERCC1ERCC4
SCHEMBL8095158 0.87 MMP8 (0.36) MMP8ATMHPGDL3MBTL1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792883-B1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-12-20 EP disclosed
EP-0792883-A1 Novel derivates of boronic acid, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-09-03 EP disclosed